N-(1-cyano-2-methylpropyl)-2-methylbutanamide

C10H18N2O — CID 63928753

IUPACN-(1-cyano-2-methylpropyl)-2-methylbutanamide
SMILESCCC(C)C(=O)NC(C#N)C(C)C
InChIInChI=1S/C10H18N2O/c1-5-8(4)10(13)12-9(6-11)7(2)3/h7-9H,5H2,1-4H3,(H,12,13)
InChIKeyDEQAXRBEDQIRPW-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.70
Rot. Bonds4

About N-(1-cyano-2-methylpropyl)-2-methylbutanamide

N-(1-cyano-2-methylpropyl)-2-methylbutanamide (PubChem CID 63928753) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-(1-cyano-2-methylpropyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(1-cyano-2-methylpropyl)-2-methylbutanamide
PubChem CID63928753
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-(1-cyano-2-methylpropyl)-2-methylbutanamide
SMILESCCC(C)C(=O)NC(C#N)C(C)C
InChIInChI=1S/C10H18N2O/c1-5-8(4)10(13)12-9(6-11)7(2)3/h7-9H,5H2,1-4H3,(H,12,13)
InChIKeyDEQAXRBEDQIRPW-UHFFFAOYSA-N
XLogP1.70
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyano-2-methylpropyl)-2,2-difluoroacetamide
CID 103513773
2-(2-methylbutanoylamino)propanoic acid
CID 14758658
N-(1-cyano-2-methylpropyl)heptanamide
CID 115621038
N-[(2R)-butan-2-yl]-2-methylbutanamide
CID 88542995
N-(1-cyano-2-methylbutyl)acetamide
CID 538622
(2S)-N-[(R)-cyano-(2-methylphenyl)methyl]-2-methylbutanamide
CID 95172187
2-cyano-N-[(1S)-1-cyanopropyl]propanamide
CID 131154745
N-[(2R)-1-hydroxybutan-2-yl]-2-methylbutanamide
CID 103919845
N-(1-cyano-2-methylpropyl)-2,4,5-trimethylfuran-3-carboxamide
CID 65153523
N-(1-cyano-2-methylpropyl)-3-cyclopentylpropanamide
CID 63930209
(2R)-N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methylbutanamide
CID 95617372
N-(1-cyano-2-methylpropyl)-2-naphthalen-1-ylacetamide
CID 63928538

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-2-methylpropyl)-2-methylbutanamide?
The IUPAC name of N-(1-cyano-2-methylpropyl)-2-methylbutanamide (CID 63928753) is N-(1-cyano-2-methylpropyl)-2-methylbutanamide.
What is the SMILES notation for N-(1-cyano-2-methylpropyl)-2-methylbutanamide?
The canonical SMILES for N-(1-cyano-2-methylpropyl)-2-methylbutanamide is CCC(C)C(=O)NC(C#N)C(C)C.
What is the InChIKey of N-(1-cyano-2-methylpropyl)-2-methylbutanamide?
The InChIKey is DEQAXRBEDQIRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-5-8(4)10(13)12-9(6-11)7(2)3/h7-9H,5H2,1-4H3,(H,12,13).
What are the key properties of N-(1-cyano-2-methylpropyl)-2-methylbutanamide?
N-(1-cyano-2-methylpropyl)-2-methylbutanamide has a molecular weight of 182.27 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-2-methylpropyl)-2-methylbutanamide is sourced from PubChem (CID 63928753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).